SCHEMBL4051508

SCHEMBL4051508

Fc1ccccc1-c1cnc2nc(C3CCCCC3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 10/20 0.47
ADORA3 P0DMS8 3/20 0.46
ADORA1 P30542 3/20 0.46
ADORA2B P29275 2/20 0.46
ADORA2A P29274 2/20 0.46
SCD O00767 1/20 0.43
CYP3A4 P08684 1/20 0.41
TRPA1 O75762 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4061915 0.85 USP30 (0.46) USP30ADORA3ADORA1ADORA2BADORA2A
SCHEMBL4062469 0.84 USP30 (0.63) USP30ADORA3ADORA1ADORA2BADORA2A
SCHEMBL13608170 0.81 ADORA3 (0.41) ADORA3ADORA1ADORA2BADORA2ANPC1
SCHEMBL4055566 0.77 SCD (0.41) USP30SCDCYP3A4TRPA1NPC1
SCHEMBL4054509 0.76 USP30 (0.47) USP30ADORA3ADORA1ADORA2BADORA2A
SCHEMBL4058457 0.76 ADORA1 (0.49) USP30ADORA3ADORA1ADORA2BADORA2A
SCHEMBL4051509 0.75 SCD (0.63) SCDCYP3A4TRPA1NPC1RAB9A
SCHEMBL4051896 0.74 SCD (0.47) SCDCYP3A4
SCHEMBL4063852 0.74 USP30 (0.70) USP30
SCHEMBL4059431 0.74 ADORA1 (0.50) USP30ADORA3ADORA1ADORA2BADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B USP30 2997/4885ADORA3 3829/4885ADORA1 3592/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.